CID 132372786

3,4-diamino-5-methoxybenzoic acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COC1=CC(=CC(=C1N)N)C(=O)O
InChI
InChI=1S/C8H10N2O3/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,9-10H2,1H3,(H,11,12)
InChIKey
CBBTXJAFDBTOKD-UHFFFAOYSA-N
Compound name
3,4-diamino-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

182.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 136.5
[M+Na]+ 205.058358 144.8
[M-H]- 181.061864 138.8
[M+NH4]+ 200.102963 155.1
[M+K]+ 221.032298 143.1
[M+H-H2O]+ 165.066400 130.7
[M+HCOO]- 227.067341 160.5
[M+CH3COO]- 241.082991 184.4
[M+Na-2H]- 203.043806 139.7
[M]+ 182.06859142 134.7
[M]- 182.06968858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe